In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 18 | Yes |
Popular Name: (1S)-N-methyl-1-quinoxalin-6-yl-1-(2-thienyl)methanamine (1S)-N-methyl-1-quinoxalin-6-yl-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.95 | 4.34 | -7.51 | 1 | 3 | 0 | 38 | 255.346 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 5.52 | -43.92 | 2 | 3 | 1 | 42 | 256.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.